Index: head/science/py-phonopy/Makefile =================================================================== --- head/science/py-phonopy/Makefile (revision 500996) +++ head/science/py-phonopy/Makefile (revision 500997) @@ -1,33 +1,32 @@ # $FreeBSD$ PORTNAME= phonopy -DISTVERSION= 1.13.2.107 -PORTREVISION= 1 +DISTVERSION= 2.0.0 CATEGORIES= science python MASTER_SITES= CHEESESHOP PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} MAINTAINER= yuri@FreeBSD.org COMMENT= Package for phonon calculations at harmonic and quasi-harmonic levels LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/LICENSE BUILD_DEPENDS= ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}yaml>0:devel/py-yaml@${PY_FLAVOR} RUN_DEPENDS= ${PYNUMPY} \ ${PYTHON_PKGNAMEPREFIX}h5py>0:science/py-h5py@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}matplotlib>0:math/py-matplotlib@${PY_FLAVOR} \ ${PYTHON_PKGNAMEPREFIX}yaml>0:devel/py-yaml@${PY_FLAVOR} TEST_DEPENDS= ${PYTHON_PKGNAMEPREFIX}nose>=0:devel/py-nose@${PY_FLAVOR} USES= python USE_PYTHON= distutils cython autoplist do-test: # One test fails: https://github.com/atztogo/phonopy/issues/79 @cd ${WRKSRC} && \ ${SETENV} ${MAKE_ENV} ${PYTHON_CMD} ${PYSETUP} test .include Index: head/science/py-phonopy/distinfo =================================================================== --- head/science/py-phonopy/distinfo (revision 500996) +++ head/science/py-phonopy/distinfo (revision 500997) @@ -1,3 +1,3 @@ -TIMESTAMP = 1536899316 -SHA256 (phonopy-1.13.2.107.tar.gz) = 72f06728c98b9a7ab3db2d6fa2ae5d029029fbcff4e8fcfbc29f1e2620a0f905 -SIZE (phonopy-1.13.2.107.tar.gz) = 6559565 +TIMESTAMP = 1557294961 +SHA256 (phonopy-2.0.0.tar.gz) = 46baf7c4571fe75374071674727c2beb0388cf57073e0623d8457f04b1c54495 +SIZE (phonopy-2.0.0.tar.gz) = 6653497 Index: head/science/py-phonopy/pkg-descr =================================================================== --- head/science/py-phonopy/pkg-descr (revision 500996) +++ head/science/py-phonopy/pkg-descr (revision 500997) @@ -1,20 +1,20 @@ Phonopy is an open source package for phonon calculations at harmonic and quasi-harmonic levels. The following features of phonopy are highlighted: * Phonon band structure, phonon DOS and partial-DOS * Phonon thermal properties: Free energy, heat capacity (Cv), and entropy * Phonon group velocity * Thermal ellipsoids / Mean square displacements * Irreducible representations of normal modes * Dynamic structure factor for INS and IXS * Non-analytical-term correction: LO-TO splitting (Born effective charges and dielectric constant are required.) * Mode Gruneisen parameters * Quasi-harmonic approximation: Thermal expansion, heat capacity at constant pressure (Cp), * Interfaces to calculators: VASP, VASP DFPT, ABINIT, Quantu ESPRESSO, SIESTA, Elk, FHI-aims, WIEN2k, CRYSTAL * Python APIs -WWW: http://atztogo.github.io/phonopy/ +WWW: https://atztogo.github.io/phonopy/